5-Nitro-6-(piperidin-1-yl)quinoline
Basic information
- CAS
19979-55-6- Standard SMILES
O=[N+]([O-])c1c(N2CCCCC2)ccc2ncccc12- InChIKey
CSULJRUBZZPJLD-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.11642673
Names & identifiers
- Preferred name
- 5-Nitro-6-(piperidin-1-yl)quinoline
- IUPAC
- 5-nitro-6-piperidin-1-ylquinoline
- English name
- 5-Nitro-6-(piperidin-1-yl)quinoline
- Molecular formula
- C14H15N3O2
- Molecular weight
- 257.29
Names & synonyms
5-Nitro-6-(piperidin-1-yl)quinoline19979-55-6MFCD120260165-nitro-6-piperidin-1-ylquinolineQuinoline, 5-nitro-6-(1-piperidinyl)-DTXSID806572385-Nitro-6-(1-piperidinyl)quinolineAKOS015833493SB43631BS-21938CS-04493825-Nitro-6-(piperidin-1-yl)quinoline98%
Database identifiers
- CAS
19979-55-6- PubChem CID
- 44119447
- DTXSID
DTXSID80657238
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 436.6 · 436.6±35.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.99 · 3.99±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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